SCHEMBL6161298

SCHEMBL6161298

O=C(OCc1ccccc1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NOS2 P35228 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM1A O60341 2/20 0.48
CYP2C19 P33261 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
P2RY1 P47900 1/20 0.46
CHRM4 P08173 1/20 0.45
RORC P51449 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2880304 0.82 SMN1; SMN2 (0.55) MEN1KMT2ANPSR1NOS2SMN1; SMN2
SCHEMBL8693356 0.81 RORC (0.54) MEN1KMT2ANPSR1NOS2SMN1; SMN2
SCHEMBL3326370 0.81 HDAC4 (0.47) MEN1KMT2AOPRD1OPRK1HDAC1
SCHEMBL7506800 0.81 MEN1 (0.52) MEN1KMT2ANPSR1NOS2SMN1; SMN2
SCHEMBL12695241 0.81 MEN1 (0.41) MEN1KMT2ANPSR1NOS2SMN1; SMN2
SCHEMBL2285406 0.80 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7501537 0.80 APP (0.55) MEN1KMT2ANPSR1NOS2SMN1; SMN2
SCHEMBL7556949 0.80 CHRM4 (0.61) MEN1KMT2ANPSR1NOS2SMN1; SMN2
SCHEMBL3326302 0.80 PDK2 (0.50) MEN1KMT2AKDM1AOPRD1OPRK1
SCHEMBL8315488 0.80 GRIN2B (0.50) MEN1KMT2ANPSR1NOS2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 EP disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO disclosed